SCHEMBL5151734

SCHEMBL5151734

CCCOc1ccc(C=Cc2ccc(F)cc2)cc1C(=O)N[C@@H](CO)C(C)c1c[nH]c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 11/20 0.39
HDAC4 P56524 11/20 0.39
HDAC1 Q13547 11/20 0.39
HDAC7 Q8WUI4 11/20 0.39
HDAC2 Q92769 11/20 0.39
HDAC10 Q969S8 11/20 0.39
HDAC11 Q96DB2 11/20 0.39
HDAC8 Q9BY41 11/20 0.39
HDAC6 Q9UBN7 11/20 0.39
HDAC9 Q9UKV0 11/20 0.39
HDAC5 Q9UQL6 11/20 0.39
SSTR2 P30874 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5151724 1.00 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14557658 0.84 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5151030 0.84 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4601810 0.84 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5151040 0.83 ITGB2 (0.41) MAPTITGB2ICAM1ITGALMEN1
SCHEMBL5149328 0.80 MEN1 (0.37) SSTR2KDM4EMAPTITGB2ICAM1
SCHEMBL5149327 0.80 MEN1 (0.37) SSTR2KDM4EMAPTITGB2ICAM1
SCHEMBL5149341 0.79 MEN1 (0.36) HDAC2SSTR2KDM4EMAPTMAPK1
SCHEMBL5155663 0.79 MEN1 (0.36) SSTR2KDM4EMAPTMAPK1MEN1
SCHEMBL5149344 0.79 MEN1 (0.36) HDAC2SSTR2KDM4EMAPTMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R HDAC3 736/4885HDAC4 2582/4885HDAC1 1530/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.